2-ethyl-N,N-dimethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-sulfonamide

• ChemBase编号: 862327
• 分子式: C19H29N3O3S
• 平均质量: 379.51686
• 单一同位素质量: 379.1929628
• SMILES: S(=O)(=O)(N1CCC2(CN(C(=O)C(C2)c2ccccc2)CC)CC1)N(C)C
• Canonical SMILES: CCN1CC2(CCN(CC2)S(=O)(=O)N(C)C)CC(C1=O)c1ccccc1
• InChI: InChI=1S/C19H29N3O3S/c1-4-21-15-19(10-12-22(13-11-19)26(24,25)20(2)3)14-17(18(21)23)16-8-6-5-7-9-16/h5-9,17H,4,10-15H2,1-3H3
• InChIKey: AJCPALWGMMBKNF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-ethyl-N,N-dimethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-sulfonamide
• IUPAC传统名: 2-ethyl-N,N-dimethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-sulfonamide
• 别名: 2-ethyl-N,N-dimethyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-sulfonamide

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 0.8215404
• LogD (pH = 7.4): 0.82154185
• Log P: 0.8215419
• 摩尔折射率: 103.0086 cm^3
• 极化性: 40.86216 Å^3
• 极化表面积: 60.93 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 0.91
• LOG S: -2.74
• 极化表面积: 60.93 Å^2
• 可自由旋转的化学键: 2